[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate CAS Name: 3-(1-phenyl-2-benzimidazolyl)propanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-phenylbenzimidazol-2-yl)propionic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C25H22BrN3O3 MolecularWeight: 492.36448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3N2C4=CC=CC=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3N2C4=CC=CC=C4)Br

InChI

InChI=1S/C25H22BrN3O3/c1-17-15-18(11-12-20(17)26)27-24(30)16-32-25(31)14-13-23-28-21-9-5-6-10-22(21)29(23)19-7-3-2-4-8-19/h2-12,15H,13-14,16H2,1H3,(H,27,30)